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Merge pull request #1171 from openforcefield/0-4-2-release-notes
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Finalize 0.4.2 release notes
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mattwthompson authored Feb 26, 2025
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Expand Up @@ -11,17 +11,36 @@ Dates are given in YYYY-MM-DD format.

Please note that all releases prior to a version 1.0.0 are considered pre-releases and many API changes will come before a stable release.

## Current development
## 0.4.2 - 2025-02-26

### Behavior changes

* #1153 Changes the electrostatics 1-4 scaling factor of 0.833333 to 0.8333333333 when `Interchange.combine` would otherwise fail.

### New features

* #1120 Read GROMACS topology files split into `.itp` files.

### Performance improvements

* #1126 Fixes some charge caching issues that slowed GROMACS exports.

### Documentation improvements

* #1163 Fixes some Packmol wrapper docstrings.
* #1159 Documents why `tolerance` is removed from box edges in the Packmol wrappers.
* #1155 Documents an edge case with `Interchange.combine` when isomorphic molecules are present with different partial charges.

### Miscellaneous improvements

* #1140 Bumps internal tests to use OpenMM 8.2.
* #1150 Updates which examples are tagged as "experimental."

## 0.4.1 - 2025-01-22

### Behavior changes

* #1132 Methods that return an `openmm.System` object now include a `openmm.CMMotionRemover` "force" within it.
* #1133 Methods that return an `openmm.System` object now include a `openmm.CMMotionRemover` "force" within it.

### New features

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